Basic information
- CAS
6949-11-7- Standard SMILES
O=C(Nc1ccc(N=Nc2ccc3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c3c2)cc1)c1ccc(N=Nc2c(O)ccc3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)cc1- InChIKey
QSBZYHOQSALAJT-UHFFFAOYSA-N- Molecular formula
- C33H23N5O14S4
- Average molar mass
- 841.8 g/mol
- Monoisotopic mass
- 841.01243512
Names & identifiers
- Preferred name
- 8-[[4-[[4-[(6,8-Disulfonaphthalen-2-yl)diazenyl]phenyl]carbamoyl]phenyl]diazenyl]-7-hydroxynaphthalene-1,3-disulfonic acid
- IUPAC
- 8-[[4-[[4-[(6,8-disulfonaphthalen-2-yl)diazenyl]phenyl]carbamoyl]phenyl]diazenyl]-7-hydroxynaphthalene-1,3-disulfonic acid
Names & synonyms
SCHEMBL14418338NSC-65841
Database identifiers
- CAS
6949-11-7- PubChem CID
- 414993
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 350 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 10
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 1,910
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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